956 citations
- European Theoretical Spectroscopy FacilityBE12 papers
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11 papers · 1 filter
Overhauser's spin-density wave in exact-exchange spin density functional theory
S. Kurth, F. G. Eich
The spin density wave (SDW) state of the uniform electron gas is investigated in the exact exchange approximation of noncollinear spin density functional theory (DFT). Unlike in Ha…
Indication of a non-magnetic surface layer on a magnetic single crystal
Daniel Wegner, Gunter Kaindl
The structural and electronic properties of the surfaces of Sm(0001) and Eu/Gd(0001) were studied by scanning tunneling microscopy and spectroscopy at temperatures between 10 and 1…
Dependence of response functions and orbital functionals on occupation numbers
S. Kurth, C. R. Proetto, K. Capelle
Explicitly orbital-dependent approximations to the exchange-correlation energy functional of density functional theory typically not only depend on the single-particle Kohn-Sham or…
Long-range repulsive interaction between TTF molecules on a metal surface induced by charge transfer
I. Fernandez-Torrente, S. Monturet, K. J. Franke +3
The low-coverage adsorption of a molecular electron donor, tetrathiafulvalene, on Au(111) is characterized by the spontaneous formation of superlattice of monomers, whose spacing e…
Huge magneto-crystalline anisotropy of x-ray linear dichroism observed on Co/FeMn bilayers
W. Kuch, F. Offi, L. I. Chelaru +5
We present an x-ray spectromicroscopic investigation of single-crystalline magnetic FeMn/Co bilayers on Cu(001), using X-ray magnetic circular (XMCD) and linear (XMLD) dichroism at…
Orbital currents in the Colle-Salvetti correlation energy functional and the degeneracy problem
S. Pittalis, S. Kurth, S. Sharma +1
Popular density functionals for the exchange-correlation energy typically fail to reproduce the degeneracy of different ground states of open-shell atoms. As a remedy, functionals…